CHEBI:136811 - 12-sulfojasmonate

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ChEBI Name 12-sulfojasmonate ChEBI ID CHEBI:136811 Definition A 5-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy and sulfate groups of 12-sulfojasmonic acid. Major species at pH 7.3 Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H16O7S Net Charge -2 Average Mass 304.318 Monoisotopic Mass 304.06277 InChI InChI=1S/C12H18O7S/c13-11-6-5-9(8-12(14)15)10(11)4-2-1-3-7-19-20(16,17)18/h1-2,9-10H,3-8H2,(H,14,15)(H,16,17,18)/p-2/b2-1- InChIKey MLUJBNROAVANKK-UPHRSURJSA-L SMILES C(=O)([O-])CC1C(C(CC1)=O)C/C=C\CCOS([O-])(=O)=O ChEBI Ontology Outgoing 12-sulfojasmonate (CHEBI:136811) is a 5-oxo monocarboxylic acid anion (CHEBI:35975) 12-sulfojasmonate (CHEBI:136811) is a organosulfate oxoanion (CHEBI:58958) IUPAC Name {3-oxo-2-[(2Z)-5-(sulfonatooxy)pent-2-en-1-yl]cyclopentyl}acetate Synonym Source a 12-sulfojasmonate UniProt Manual Xref Database 12-Hydroxyjasmonate-Sulfates MetaCyc View more database links Citation Type Source 12637544 PubMed citation SUBMITTER Last Modified 05 July 2017